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[热点] 三无产品还有机会吗 2121212a 2025-12-25 刚刚
[NBO/AIM] [已完结]用gauss09算AIM2000的.wfn文件怎么写输入文件啊 (1/406) wucx1234 2012-11-03 2012-12-03 09:37:05 by zhuohongying
[NBO/AIM] [已完结]杂化轨道 (0/340) zm_tbw 2012-11-14 2012-11-14 19:21:48 by zm_tbw
[NBO/AIM] 【讨论】NBO分析的一点点讨论 (13/2419) wang0912302 2010-11-25 2012-10-09 13:13:53 by 小热胖胖
[NBO/AIM] 【求助】AIM2000结果之分析指定原子信息 (3/674) sophia_999 2010-08-26 2012-09-29 18:12:28 by 喻儿在线
[NBO/AIM] [已完结]NBO问题！ (1/522) zm_tbw 2012-09-25 2012-09-26 08:48:58 by wang_dan1990
[NBO/AIM] [已完结]用AIM做范德华相互作用的ρ和▽2ρ有标准吗？ (5/1052) vikkihe 2012-09-20 2012-09-21 16:50:42 by zpppanda111
[NBO/AIM] [已完结]求指教 用GENNBO5.0 算mayer键级，所得矩阵有些值是负的是什么意思 (2/1011) jinquwl 2012-09-17 2012-09-18 19:53:11 by luolun2008
[NBO/AIM] 【求助】在NBO分析结果中，如何看HOMO和LUMO分子轨道的能量呢    ( 1 2 ) (19/3288) yangxinyeah 2010-11-06 2012-09-06 07:11:43 by ZJboy
[NBO/AIM] [已完结]NBO分析 (7/1487) phbgp 2012-09-02 2012-09-04 23:28:13 by sobereva
[NBO/AIM] NBO轨道计算与弥散函数 (0/631) ZJboy 2012-08-19 2012-08-30 19:23:48 by ZJboy
[NBO/AIM] NBO计算用的基组是否必须和结构优化时的基组一致？ (2/721) vigaryang 2011-07-30 2012-08-29 18:58:55 by luoronggen
[NBO/AIM] [已完结]在进行NBO的计算时出现这样的问题，大家帮忙看看啊！ (6/797) 婷婷-啦啦 2012-08-23 2012-08-26 01:23:04 by ZJboy
[NBO/AIM] [已完结]AIM2000 (1/413) liudiwen 2012-08-24 2012-08-24 18:56:33 by liudiwen
[NBO/AIM] [已完结]nbo分析 分子内氢键 (1/609) B612 2012-08-04 2012-08-21 02:53:51 by 313588908
[NBO/AIM] [已完结]关于NBO不能并行的讨论 (2/784) kathy2008 2012-07-11 2012-08-07 15:48:55 by qchem
[NBO/AIM] [已完结]AIM问题 (1/645) wuyoung 2012-06-26 2012-07-21 15:38:47 by vigaryang
[NBO/AIM] [已完结]溶剂化状态下可否进行AIM和NBO分析？ (1/597) vigaryang 2012-06-17 2012-06-18 20:01:04 by xjiao
[NBO/AIM] [已完结]NBO计算出错 (2/480) liupeng0917 2011-11-14 2012-06-11 11:49:15 by liupeng0917
[NBO/AIM] [已完结]两原子间出现(3,-3)关键点和两个（3，-1）关键点，如何处理？ (4/1069) lixiaoyan326 2012-06-04 2012-06-11 08:29:36 by lixiaoyan326
[NBO/AIM] [已完结]怎样应用NBO,AIM讨论协同作用 (9/1126) vikkihe 2012-05-08 2012-06-01 07:49:13 by vikkihe
[NBO/AIM] [已完结]怎样根据E(2)的信息，判断氢键中的O原子主要是sp杂化的特性还是p杂化的特性？ (6/1224) ludeng8710 2011-10-30 2012-05-30 17:12:21 by showcat
[NBO/AIM] [已完结][关贴]AIM动能密度和势能密度求助 (7/1269) 604758762 2012-05-24 2012-05-29 16:48:13 by 604758762
[NBO/AIM] [已完结]含碘aim计算 (1/322) chinasd.sl 2012-04-06 2012-05-29 09:10:29 by haidaoqi789
[NBO/AIM] 【求助】Gennbo 5.0的输入文件 (5/694) sand1314 2010-06-24 2012-05-25 12:43:29 by Tyrael
[NBO/AIM] [已完结]求关于NBO的中文资料.急！急！急！ (1/605) 笨笨熊2号 2012-05-19 2012-05-19 22:59:45 by zpppanda111
[NBO/AIM] [已完结]Gaussview做分子轨道图 (4/2038) haidaoqi789 2012-05-10 2012-05-14 14:29:27 by haidaoqi789
[NBO/AIM] [已完结][关贴]求aimall的10.09.05及其以上版本！重金相谢！    ( 1 2 ) (15/801) vividelife 2012-04-05 2012-05-06 14:31:44 by vigaryang
[NBO/AIM] [已完结]赝势与NBO (2/505) 10010602004 2011-11-11 2012-05-05 06:04:42 by yjr
[NBO/AIM] [已完结]求几篇用NBO和AIM分析成键本质的文献 (0/354) vikkihe 2012-04-25 2012-04-26 10:10:16 by vikkihe
[NBO/AIM] [已完结]生成热（HF）结果与其中氢键作用力等分析结果相反，求解。 (1/542) 可米kemi 2012-03-06 2012-04-14 10:38:28 by showcat
[NBO/AIM] [已完结]NBO 离子键 共价键 (1/643) beipiao616 2012-04-13 2012-04-13 15:51:03 by linzhongaiguo
[NBO/AIM] [已完结]NBO二阶稳定化能的问题 (1/510) 461018249 2012-03-08 2012-04-11 20:05:45 by 903566945
[NBO/AIM] [已完结]AIM出错 (2/314) chaowen1314 2012-04-07 2012-04-08 17:29:35 by petal落
[NBO/AIM] nbo与aim (6/628) bird37 2012-03-31 2012-04-04 09:59:03 by yjcmwgk
[NBO/AIM] [关贴]化学键对应的AIM键临界点找不着 (9/2413) tiechong 2012-03-30 2012-03-31 14:39:09 by fatpig8832
[NBO/AIM] [已完结]电荷转移 (2/554) bird37 2012-03-31 2012-03-31 11:32:00 by zhou2009
[NBO/AIM] [已完结]如何计算配位化合物中σ-donation/π-back具体的数值啊？ (4/1821) rongfu1937 2011-10-31 2012-03-29 12:59:49 by rongfu1937
[NBO/AIM] [已完结][关贴]根据什么来确定哪个键是σ键？哪个键是π键呢 (1/624) beipiao616 2012-03-28 2012-03-28 15:12:07 by 思雨G十年
[NBO/AIM] [已完结]使用chemcraft时遇到的问题 (0/816) vikkihe 2012-03-27 2012-03-27 10:57:03 by vikkihe
[NBO/AIM] [已完结]共价，离子键，范德华力怎么判别 (3/2037) wynli 2012-03-22 2012-03-27 07:39:37 by 思雨G十年
[NBO/AIM] [已完结]AIM分析的时候出现原子核的识别错误 在线等待 (0/194) knesy 2012-03-26 2012-03-26 17:53:57 by knesy
[NBO/AIM] [已完结][关贴]AIM分析键鞍点的时候，分析键鞍点的时候就是少一个键鞍点 (1/649) knesy 2012-03-25 2012-03-25 21:00:00 by knesy
[NBO/AIM] [已完结]分基组算nbo输入文件错误 (3/976) feiyumeng 2011-11-12 2012-03-24 13:33:06 by feiyumeng
[NBO/AIM] [已完结]AIM可以分析过金属元素吗？（先30个BB，问题解决，还会追加的）谢谢 (6/1573) 汩汩小怪 2011-07-04 2012-03-24 12:06:52 by knesy
[NBO/AIM] [已完结]NBO计算时轨道电荷问题请教 (0/655) maoyt77 2012-03-11 2012-03-20 14:33:27 by maoyt77
[NBO/AIM] [已完结]怎么样用choose把CH3NH2分成两个unit (7/1253) kathy2008 2012-03-13 2012-03-13 22:19:22 by kathy2008
[NBO/AIM] NBO计算对于键型判断 (8/2542) liuyusuc 2011-05-21 2012-02-11 16:23:44 by guashi521
[NBO/AIM] We lose bader???    ( 1 2 ) (12/1183) hamedchegini 2012-01-18 2012-01-23 09:31:38 by 任创
[NBO/AIM] [已完结]求助NBO计算时出错 (3/1425) chaowen1314 2012-01-14 2012-01-15 17:14:36 by chshengyao
[NBO/AIM] [已完结]如何判断NBO分析结构的准确性 (0/451) vigaryang 2012-01-06 2012-01-06 15:52:30 by vigaryang
[NBO/AIM] [已完结]NBO分析求助 (1/864) dxjdmy 2012-01-04 2012-01-06 00:17:22 by tiechong
[NBO/AIM] 【求助】求教NBO Charge ，电子密度，能量的关系？ (4/1817) sanshi9605 2010-03-25 2011-12-27 20:50:14 by fineren
[NBO/AIM] [已完结]AIM如何截图啊 (3/699) wynli 2011-12-17 2011-12-18 09:17:21 by wynli
[NBO/AIM] [已完结]为什么不能用NBO分析wb97xd方法优化好结构的键级？ (1/708) ludeng8710 2011-12-09 2011-12-14 09:22:58 by lion0528
[NBO/AIM] [已完结]Error: Unrecognizable keyword >> CMO <<怎么办？ (2/892) 若只如初见 2011-12-04 2011-12-05 08:09:31 by lihb734
[NBO/AIM] [已完结]NBO计算出现的问题 (0/931) huosuhong 2011-12-02 2011-12-02 08:49:57 by huosuhong
[NBO/AIM] [专家] NBO已经出6.0版了？ (评阅+5) (6/1915) beefly 2011-11-25 2011-11-27 15:17:34 by kexueshi
[NBO/AIM] [已完结]输入文件到301错误 (4/1023) wynli 2011-11-22 2011-11-24 09:40:19 by wynli
[NBO/AIM] [已完结]【求助】NBO的Warning！！！ (3/1051) 慢三儿 2011-10-27 2011-11-21 10:50:24 by 慢三儿
[NBO/AIM] Gaussian里NBO里的Choose关键词 (4/1359) tiechong 2011-08-11 2011-11-18 09:14:05 by emmaxue
[NBO/AIM] [已完结]NBO E（2）分析 求助键的作用 (1/645) wangxp-200806 2011-11-09 2011-11-09 20:45:53 by piaoma
[NBO/AIM] [已完结]NBO分析 (1/1441) phbgp 2011-11-08 2011-11-08 12:55:19 by wolfzhong
[NBO/AIM] 【分享】号称能搞定ECP的AIM软件AIMALL (9/1775) tiechong 2010-10-21 2011-10-27 23:01:16 by Duncunqu
[NBO/AIM] [已完结]急需帮助 计算NBO时，死在502上了，怎么办？ (0/422) zmy870206 2011-10-27 2011-10-27 16:16:14 by zmy870206
[NBO/AIM] [已完结]nbo5.0计算nrt出错 (3/882) liuzhengjun0427 2011-10-20 2011-10-24 20:22:09 by vividelife
[NBO/AIM] [已完结]Orbital of natural bond? (2/526) dewpoint 2011-06-09 2011-10-23 10:24:13 by emmaxue
[NBO/AIM] [已完结]Bonding energy 如何计算，怎么看 (0/1398) chaowen1314 2011-10-17 2011-10-17 09:21:08 by chaowen1314
[NBO/AIM] 【求助】GENNBO5.0 (4/816) greatsea1212 2011-04-05 2011-10-15 20:13:54 by liangshash
[NBO/AIM] [已完结]NBO输出解析 (1/455) 会飞的种子 2011-10-14 2011-10-14 19:36:01 by luolun2008
[NBO/AIM] [关贴]mp2的scf密度nbo分析 (3/842) tiechong 2011-10-12 2011-10-14 10:49:54 by beefly
[NBO/AIM] [专家] 【原创】NBO2MOLDEN：把NBO图形文件转化为MOLDEN格式的工具 (4/1738) beefly 2010-01-13 2011-10-08 11:11:13 by emmaxue
[NBO/AIM] [已完结]NBO使用 (0/430) liuyusuc 2011-09-16 2011-09-16 12:05:18 by liuyusuc
[NBO/AIM] 金属离子和有机分子配位，配位原子的NBO电荷体现了什么作用 (1/460) 雨晨田木 2011-09-14 2011-09-16 08:45:15 by linzhongaiguo
[NBO/AIM] [已完结]NBO Analysis! (0/624) 小鱼-加油 2011-09-14 2011-09-14 16:00:21 by 小鱼-加油
[NBO/AIM] [已完结]使用“加入了NBO5.G的Gaussian03模块”出错，什么原因呢？ (1/573) sealanlan 2011-09-13 2011-09-14 10:32:33 by abdoman
[NBO/AIM] [已完结]求助解释公式 (1/301) jinrf 2011-08-03 2011-08-04 12:27:45 by yongleli
[NBO/AIM] [已完结]如何得到Beta Molecular Orbital Coefficients？ (1/383) kathy2008 2011-08-01 2011-08-01 17:12:53 by 鱼妃
[NBO/AIM] [已完结]NAO分析各轨道能量时遇到的问题，高手们来看看啊~ (2/382) gtolv8688 2011-07-30 2011-07-30 21:50:32 by gtolv8688
[NBO/AIM] [已完结]求助啊，用ADF算极化率结果出错了。 (0/315) polaris2 2011-07-21 2011-07-21 22:47:20 by polaris2
[NBO/AIM] [已完结]请教：如何用AIM计算二茂铁环的电子云密度 (0/513) 乐逍遥741 2011-07-06 2011-07-06 15:52:34 by 乐逍遥741
[NBO/AIM] [已完结]NBOview作图 (0/423) hejingsru 2011-07-04 2011-07-04 15:27:53 by hejingsru
[NBO/AIM] [已完结]有cif晶格图，怎么用高斯或者AIM计算热力学函数额 (金币≥1)(1/60) wynli 2011-06-17 2011-06-17 14:12:44 by yongleli
[NBO/AIM] [已完结]求AIM2000的中文使用说明一份 (3/945) liujkbenben 2011-05-07 2011-06-07 08:26:42 by liujkbenben
[NBO/AIM] Gaussview中分子结构的复制 (2/2591) liuyusuc 2011-05-25 2011-05-26 13:13:53 by liuyusuc
[NBO/AIM] 卤代烃电荷计算 (0/305) liuyusuc 2011-05-25 2011-05-25 12:47:08 by liuyusuc
[NBO/AIM] 【求助】请问：EPA 分析是自然集居分析？还是能量布居分析法？ (4/867) linzhongaiguo 2010-08-16 2011-04-25 14:50:51 by linzhongaiguo
[NBO/AIM] 【求助】NBO分析 (6/1107) saradzj 2011-03-23 2011-04-20 20:53:37 by saradzj
[NBO/AIM] [已完结]bond path ， bond basin用汉语翻译过来怎么解释？ (4/983) MVP41 2011-04-20 2011-04-20 15:18:20 by lihb734
[NBO/AIM] [已完结]化学键离子性计算 (0/686) liuyusuc 2011-04-20 2011-04-20 12:27:05 by liuyusuc
[NBO/AIM] [已完结]NBO中电荷转移分析 (1/1195) saradzj 2011-04-19 2011-04-19 13:59:41 by qzhaosdu
[NBO/AIM] 【求助】NBO小问？ (6/743) peterman 2009-07-25 2011-04-13 10:53:31 by a樱木花道
[NBO/AIM] 【求助】NBO delete orbital 的问题 (3/659) greatsea1212 2011-04-08 2011-04-09 12:37:35 by greatsea1212
[NBO/AIM] 【求助】在对porphyrin-Magnesium进行NBO后，发现porphyrin是donor，不怎么合常理。 (2/272) kathy2008 2011-04-05 2011-04-05 12:55:55 by boylc789
[NBO/AIM] 【求助】如何产生gmsnbo.f这个文件 (1/335) kathy2008 2011-03-25 2011-04-02 18:56:57 by ifmc1234
[NBO/AIM] 【求助】算AIM时有如此信息严重么？Significant integration error for the following (1/429) xiaowandouer 2011-03-27 2011-03-28 10:09:12 by xiaowandouer
[NBO/AIM] 【求助】急切请教大侠AIM 2000 结果分析电荷密度问题，多谢    ( 1 2 ) (17/1850) 子橙 2010-07-12 2011-03-24 17:35:06 by xiaowandouer
[NBO/AIM] 【求助】有没有做激发态NBO分析的？ (6/1062) tephoon78 2010-11-25 2011-03-23 09:54:05 by tephoon78
[NBO/AIM] 【分享】gaussian中得到波函数文件的方法在AIM进行下一步的计算 (评阅+1) (4/2054) miaoskypop 2009-03-13 2011-03-22 16:59:31 by xiaowandouer
[NBO/AIM] 【求助】Muliken atomic population 与 Lowdin atomic population 有什么区别 (1/493) kathy2008 2011-03-21 2011-03-21 17:42:26 by sobereva
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